mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-849713
12.725864
-0.062456
-0.052502
other
Mn12O14F10
36
1
399.8
mp-1216469
-2.777464
-1.927455
-5.464947
other
Yb18B10S42
70
1
1,469.27
mp-729405
-2.422522
-3.130494
-5.260522
other
Pr16S12N8
36
1
828.26
mp-714973
-0.777958
0.859549
-3.755605
other
K4Nb6Br18
28
1
902.54
mp-34982
-3.999578
-1.397451
-5.456341
other
Ag3Au1S2
6
1
132.71
mp-802021
7.955072
5.339515
-1.82946
other
Al8V8O24
40
1
430.76
mp-778247
12.814466
0.856653
2.198102
other
Fe10O6F14
30
1
361.48
mp-775001
11.314585
12.474114
-3.735547
other
V3Fe1O8
12
1
224.43
mp-675987
-1.686125
0.664909
-5.206025
other
Ag7S2I2
11
1
306.13
mp-530883
9.922142
8.548195
3.204969
other
Ce6Y26O51
83
1
1,255.69
mp-775842
9.708186
8.485661
-0.656177
other
Bi24B2O39
65
1
1,041.45
mp-626299
8.309107
4.8785
-3.951659
other
H20Cl4O24
48
1
516.16
mp-1103547
8.37375
8.046555
-2.537745
other
Al2Si2O9
13
1
176
mp-776226
1.680868
1.8056
2.954139
other
Hf16N16O8
40
1
502.04
mp-849558
10.098795
1.139786
0.300514
other
Cr8O2F22
32
1
401.21
mp-675499
11.308091
12.878874
0.100795
other
Ti5Fe7O18
30
1
326.51
mp-1179422
13.487428
7.350719
-1.163898
other
Si20H20O30
70
1
1,013.34
mp-531997
12.103059
11.174879
-1.507479
other
Na11W16O48
75
1
938.28
mp-762575
6.349027
12.880207
-1.416237
other
Li4Fe6O12
22
1
231.72
mp-729275
10.499709
9.351113
-1.965388
other
Dy4Te8O22
34
1
508.98
mp-655001
5.004203
-0.425932
-2.962091
other
Li6B2H12
20
1
175.11
mp-1173720
8.386601
1.120218
1.823812
original
Na1Ho2F7
10
1
154.62
mp-2228843
10.993442
13.187812
-3.503558
other
Mg1V5O12
18
1
218.28
mp-37430
9.992197
4.726701
-6.021309
other
Na4S2O5
11
1
162.71
mp-780519
12.932813
0.779135
1.99081
other
Fe6O4F8
18
1
216.8
mp-1247596
7.32825
12.260327
1.445759
other
Ca32Mn32O84
148
1
1,849.48
mp-705713
9.757976
8.705175
-0.579725
other
Bi14W1O24
39
1
656.65
mp-1224420
10.573502
7.197309
-5.491823
other
In2P6O18
26
1
479.22
mp-1197475
8.709744
7.912264
-2.499295
other
Mg12Si8O36
56
1
754.49
mp-758752
7.442638
16.827644
-0.680295
other
Li10Mn10O24
44
1
415.48
mp-1176386
6.722611
10.380583
-1.128162
other
Na32Ni8O32
72
1
1,067.03
mp-762250
2.544769
2.571218
1.110263
other
Sn16N16O8
40
1
533.41
mp-760355
10.235705
2.442505
0.079272
other
V6O2F22
30
1
417.86
mp-625671
11.698074
4.783188
-4.023291
other
Mn1H2O2
5
1
48.88
mp-626481
11.736443
4.190588
-3.763059
other
Al8H24O24
56
1
423.09
mp-757414
6.874131
13.595307
-1.911179
other
Mg4Co14O24
42
1
414.97
mp-1217418
-8.074864
1.008636
-2.819589
other
Te8Mo4Ru2
14
1
363.55
mp-1101127
10.733775
12.030934
1.083244
other
Ti4Cd2O12
18
1
248.54
mp-775786
1.6761
1.806154
2.937794
other
Hf16N16O8
40
1
502.1
mp-773099
10.728689
9.279763
0.188621
other
Mn4Zn16O20
40
1
508.47
mp-755958
5.185321
11.59594
-2.335805
other
Fe6O10F2
18
1
194.78
mp-1234003
11.857781
10.958929
-2.566226
other
Mg1Mo6O16
23
1
334.46
mp-1178293
12.076778
1.18657
2.631245
other
Fe10O4F16
30
1
369.2
mp-777933
13.332441
0.465376
1.45826
other
Fe6O5F7
18
1
212.09
mp-627077
10.701513
4.049502
-3.491906
other
Ba8H16O16
40
1
526.57
mp-850992
12.232082
-0.910678
0.889119
other
Mn12O7F17
36
1
440.93
mp-850746
13.164171
0.591605
1.666487
other
Fe8O6F10
24
1
284.82
mp-1176383
10.161794
12.64878
-3.987549
other
Na3V24O58
85
1
1,083.2
mp-1216992
10.633001
10.53227
-2.074239
other
V2Bi4O11
17
1
238.12
mp-1228770
8.240548
2.697563
-1.077685
other
Au1O2F6
9
1
163.31
mp-675858
-2.923242
-2.629728
-5.704844
other
Lu16Fe8S32
56
1
1,265.28
mp-851809
7.55762
5.123415
-1.867519
other
Sn16N16O8
40
1
535.04
mp-676545
9.675349
8.586991
-0.724781
other
Cd2Bi36O56
94
1
1,828.83
mp-755836
11.168134
1.694109
2.57174
other
Fe6O1F11
18
1
229.17
mp-1041329
8.701625
14.492224
-0.243516
other
Ca6Mn12O24
42
1
537.89
mp-765492
8.908073
14.768989
-1.049954
other
Mn11Cu7O24
42
1
461.31
mp-1387515
6.891542
10.851032
-0.386621
other
Ca3Co2O6
11
1
219.41
mp-752583
12.484561
12.951211
-1.87443
other
Na1V5O10
16
1
192.42
mp-1191820
13.36523
4.513527
-2.33579
other
Bi3B6O14
23
1
258.08
mp-1177487
9.004942
12.392115
-0.132263
other
Li47Co8O32
87
1
820.13
mp-758772
5.96065
13.158734
-1.476337
other
Li16Ni22O44
82
1
743.55
mp-1177674
8.356845
15.549951
-0.502588
other
Li12Mn16O32
60
1
603.47
mp-780203
7.491003
12.169908
-0.782229
other
Li18Fe4O16
38
1
399.6
mp-1345071
-3.592894
-2.472596
-2.919526
other
Na3V5Se10
18
1
409.72
mp-1097052
10.971723
10.322694
1.310777
other
La2Fe2O5
9
1
126.69
mp-675023
7.716202
12.347196
-1.259771
other
Co8Bi5O20
33
1
418.6
mp-756720
12.716702
0.46965
0.237161
other
Fe10O11F9
30
1
342.41
mp-778124
12.79556
0.875314
2.186367
other
Fe10O6F14
30
1
362.18
mp-1391065
8.080581
3.856115
-1.12857
other
Li2Fe4F10
16
1
200.07
mp-685970
9.615242
8.586735
3.165158
other
Ce14Gd18O55
87
1
1,317.32
mp-1226206
-2.835395
-2.464535
-5.796117
other
Dy12Ge5S28
45
1
969
mp-997539
6.337678
13.821293
-2.163458
other
Li2Co6O12
20
1
212.89
mp-627334
13.427105
7.392871
-1.16636
other
Si20H20O30
70
1
980.01
mp-778616
10.00014
12.058036
-4.63823
other
V4O8F4
16
1
206.85
mp-1331972
12.771715
10.52193
0.283029
other
Ca6Mo12O24
42
1
591.68
mp-1247313
1.86012
2.299447
1.374907
other
Zn16Ag4N12
32
1
456.51
mp-849412
10.519138
2.259277
-0.199336
other
V6O5F19
30
1
438.84
mp-1182337
6.619175
5.916461
-3.838898
other
Ba2Cl2O6
10
1
203.72
mp-2230039
6.549357
13.373993
-2.072238
other
Mg1Co7O12
20
1
213.48
mp-1182530
10.690713
5.770589
-4.307778
other
Fe16H20O34
70
1
698.75
mp-698650
7.833286
11.498036
1.257368
other
Sr13Mn8O30
51
1
820.17
mp-1652319
7.008291
13.138735
-1.562296
other
Cd6Co5O15
26
1
322.9
mp-673844
-5.492131
-1.805196
-3.482495
other
Cr1Fe2Se4
7
1
146.24
mp-685713
10.317548
10.682494
3.225695
other
Gd7Ti8O26
41
1
545.11
mp-1218901
7.92316
7.612914
-4.13512
other
Sr3U6O28
37
1
576.33
mp-998712
8.555488
1.610133
1.218699
other
Tl1Ge1F3
5
1
105.97
mp-758223
9.574059
8.56738
-0.753868
other
Bi11P1O20
32
1
547.35
mp-776360
1.87533
1.75963
2.829973
other
Zr16N16O8
40
1
522.84
mp-1409379
12.92695
10.428499
0.137734
other
Mg1W4O8
13
1
187.85
mp-698587
10.01797
13.059883
0.110285
other
Ti10Ni10O30
50
1
516.75
mp-759668
10.237481
2.443857
0.079231
other
V6O2F22
30
1
417.1
mp-1393169
10.23777
0.516848
0.381909
other
Li2Fe2F8
12
1
151.35
mp-780233
12.427255
11.955442
1.839109
other
Li7Ti14O28
49
1
565.24
mp-760068
6.960312
10.480867
-0.936322
other
Na32Co8O32
72
1
1,089.52
mp-1221571
11.183022
8.731153
-5.737418
other
Mo2P3O14
19
1
346.88
mp-1220106
-4.313617
-3.904941
-3.738059
other
Pr12Si5Se28
45
1
1,202.98
mp-1101003
10.33272
12.310367
-4.173478
other
V18Cu2O45
65
1
1,185.28
mp-760929
12.838285
-0.82501
0.342542
other
Mn8O8F8
24
1
273.04
mp-1217871
-2.814546
-2.520691
-5.945927
other
Tb12Si5S28
45
1
961.42
mp-754899
12.114823
3.135615
0.969098
other
V4O3F9
16
1
198.25